(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine

C12H11BrFNS — CID 102834092

IUPAC(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C12H11BrFNS/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-6,12H,15H2,1H3
InChIKeyHSJOSOMZJJIUED-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.01
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine

(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102834092) has the molecular formula C12H11BrFNS and a molecular weight of 300.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102834092
Molecular FormulaC12H11BrFNS
Molecular Weight300.20 g/mol
Exact Mass298.98
IUPAC Name(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1sccc1C(N)c1cc(Br)ccc1F
InChIInChI=1S/C12H11BrFNS/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-6,12H,15H2,1H3
InChIKeyHSJOSOMZJJIUED-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102831759
(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(5-bromo-2-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105167418
(2-fluoro-4-methoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102833497
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559026
(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102840617
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine (CID 102834092) is (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine is Cc1sccc1C(N)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is HSJOSOMZJJIUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNS/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-6,12H,15H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine?
(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 300.20 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102834092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).